RbSrCa
Alexandria ALEXAlex-ID: agm005659124 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_9380_spg10
Rb Sr Ca
2023-06-17 02:46:40.047520
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659124).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005659124
data_agm005659124
_cell_length_a 6.28062
_cell_length_b 4.25329
_cell_length_c 15.88228
_cell_angle_alpha 90.41579
_cell_angle_beta 79.04697
_cell_angle_gamma 90.00076
_cell_volume 416.52838
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb1 Rb 0.43429 0.01796 0.72962 1.00000
Rb2 Rb 0.60083 0.03277 0.42122 1.00000
Sr1 Sr 0.84342 0.52201 0.92011 1.00000
Sr2 Sr 0.19316 0.52987 0.23071 1.00000
Ca1 Ca 0.30090 0.02417 0.00828 1.00000
Ca2 Ca 0.73580 0.02775 0.14251 1.00000
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